Molecular combination networks in medicinal plants: understanding synergy by network pharmacology in Indian traditional medicine

Mukherjee, Pulok K.; Banerjee, Subhadip; Kar, Amit

doi:10.1007/s11101-020-09730-4

Cited by 17 publications

(5 citation statements)

References 65 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The network interactions show stable "network responses" and more effective multi-component activity than a single substance. 93 Illustrations of Figures 1, 2, and 6 explore TGF-β1, MMP9, MMP2, EGFR, AKT1, SRC, and TNF-α as core targets in treating IPF. The reported targets come under various stages in the development of fibrosis; inflammatory mediators release, EMT, proliferation and differentiation, and matrix accumulation.…”

Section: Discussionmentioning

confidence: 99%

Network pharmacology and in silico approaches to uncover multitargeted mechanism of action of Zingiber zerumbet rhizomes for the treatment of idiopathic pulmonary fibrosis

Byregowda,

Baby,

Maity

et al. 2024

F1000Res

View full text Add to dashboard Cite

Background Idiopathic pulmonary fibrosis (IPF) is a disease with high mortality, and there are only two specific drugs available for therapeutic management with limitations. The study aims to identify comprehensive therapeutic mechanisms of Zingiber zerumbet rhizomes (ZZR) to treat IPF by using network pharmacology followed battery of in silico studies. Methods The protein-protein interaction network was developed using Cytoscape to obtain core disease targets involved in IPF and their interactive molecules of ZZR. Based on the pharmacophore properties of phytomolecules from ZZR, the drug targets in IPF were explored. Protein-protein interaction network was built in Cytoscape to screen potential targets and components of ZZR. Molecular docking and dynamics were conducted as an empirical study to investigate the mechanism explored through network pharmacology in relation to the hub targets. Results The network analysis conferred kaempferol derivatives that had demonstrated a promising therapeutic effect on the perturbed, robust network hubs of TGF-β1, EGFR, TNF-α, MMP2 & MMP9 reported to alter the biological process of mesenchymal transition, myofibroblast proliferation, and cellular matrix deposition in pulmonary fibrosis. The phytomolecules of ZZR act on two major significant pathways, namely the TGF-β-signaling pathway and the FOXO-signaling pathway, to inhibit IPF. Confirmational molecular docking and dynamics simulation studies possessed good stability and interactions of the protein-ligand complexes by RMSD, RMSF, rGyr, SASA, and principal component analysis (PCA). Validated molecular docking and dynamics simulations provided new insight into exploring the mechanism and multi-target effect of ZZR to treat pulmonary fibrosis by restoring the alveolar phenotype through cellular networking. Conclusions Network pharmacology and in silico studies confirm the multitargeted activity of ZZR in the treatment of IPF. Further in vitro and in vivo studies are to be conducted to validate these findings.

show abstract

Section: Discussionmentioning

confidence: 99%

Network pharmacology and in silico approaches to uncover multitargeted mechanism of action of Zingiber zerumbet rhizomes for the treatment of idiopathic pulmonary fibrosis

Byregowda,

Baby,

Maity

et al. 2024

F1000Res

View full text Add to dashboard Cite

show abstract

“…Systems Biology: Systems biology integrates omics data from genomics, transcriptomics, proteomics, and metabolomics to model and simulate the complex interactions within biological systems [40]. Network-based approaches, such as metabolic pathway analysis, gene regulatory networks, and protein interaction networks, elucidate the interconnectedness of molecular components and pathways underlying medicinal plant traits [41]. Systems biology frameworks enable the prediction of emergent properties and the identification of potential drug targets for therapeutic intervention.…”

Section: Omics Technologies In Medicinal Plant Researchmentioning

confidence: 99%

Exploring Bioinformatics Opportunities for Identification and Study of Medicinal Plants: A Comprehensive Review

gupta,

Khatoon,

singh

et al. 2024

Preprint

View full text Add to dashboard Cite

Medicinal plants have been a cornerstone of traditional medicine systems for centuries, offering a vast array of bioactive compounds with therapeutic potential. However, the identification, characterization, and elucidation of the pharmacological properties of these plants have often been challenging due to their complex chemical composition and diverse biological activities. Bioinformatics, with its interdisciplinary approach combining biology, computer science, and information technology, presents a powerful toolkit for the systematic study of medicinal plants. This review provides an overview of bioinformatics methodologies and resources that can facilitate the identification, phytochemical analysis, pharmacological investigation, and conservation of medicinal plants. It highlights the integration of omics technologies, computational algorithms, database resources, and molecular modeling techniques in advancing our understanding of medicinal plants' therapeutic potential and their applications in drug discovery and development.

show abstract

“…The evidence supporting the entourage effect is so strong that traditional medicine is moving away from the reductionist approach towards harnessing the synergy of poly-pharmacological Phyto-combinations that modulate the activity of target networks of underlying disease phenotypes. [80] Still, subverting dominant scientific paradigms is an arduous process, and as with many scientific constructs, the entourage effect is not universally accepted within the scientific community. Acceptance of the construct appears to be correlated to research funding sources.…”

Section: Applying the Entourage Effect To The Development Of Nutraceu...mentioning

confidence: 99%

Untitled

2023

World J. Biol. Pharm. Res.

View full text Add to dashboard Cite

This literature review examines theoretical frameworks related to applying the principles of biomolecular psychology and psychoneuroimmunology to devise a nutraceutical protocol utilizing phytochemicals for the treatment of posttraumatic stress disorder with a particular focus on modulating the endocannabinoid system through the utilization of molecules inherent in chemovars of Cannabis sativa. It provides a psychosocial overview of posttraumatic stress disorder and the historically controversial and noncontroversial nature of the biologically derived molecules that have demonstrated efficacy in addressing the effects major stressors have on the biomolecular mechanisms that cause mood disorders that manifest themselves as symptoms of PTSD.

show abstract

Molecular combination networks in medicinal plants: understanding synergy by network pharmacology in Indian traditional medicine

Cited by 17 publications

References 65 publications

Network pharmacology and in silico approaches to uncover multitargeted mechanism of action of Zingiber zerumbet rhizomes for the treatment of idiopathic pulmonary fibrosis

Network pharmacology and in silico approaches to uncover multitargeted mechanism of action of Zingiber zerumbet rhizomes for the treatment of idiopathic pulmonary fibrosis

Exploring Bioinformatics Opportunities for Identification and Study of Medicinal Plants: A Comprehensive Review

Untitled

Contact Info

Product

Resources

About